| SpectraBase Compound ID | 1pZDNk13fxv |
|---|---|
| InChI | InChI=1S/C21H32N2O2/c1-20-11-9-15(22-24-3)13-14(20)5-6-16-17-7-8-19(23-25-4)21(17,2)12-10-18(16)20/h13,16-18H,5-12H2,1-4H3/b22-15-,23-19+ |
| InChIKey | ZZDSWSPDFBFXIQ-LLGFTAQISA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C21H32N2O2 |
| Exact Mass | 344.246378 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J3VX6xMpuXC |
|---|---|
| Name | 4-Androsten-3,17-dione, 2MEOX |
| Comments | Derivatization type: 2 MEOX (mass: 344.246); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000155; Note: The molecular formula of the structure shown is C19H26O2 - which differs from the formula reported for the mass spectrum (C21H32N2O2) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32N2O2 |
| InChI | InChI=1S/C21H32N2O2/c1-20-11-9-15(22-24-3)13-14(20)5-6-16-17-7-8-19(23-25-4)21(17,2)12-10-18(16)20/h13,16-18H,5-12H2,1-4H3/b22-15-,23-19+ |
| InChIKey | ZZDSWSPDFBFXIQ-LLGFTAQISA-N |
| Molecular Weight | 344.499 g/mol |
| SMILES | CC12CC\C(C=C2CCC2C3CC\C(C3(C)CCC12)=N/OC)=N\OC |
| SPLASH | splash10-0006-2910000000-824730815d2cd86ba6ef |
| Source of Spectrum | FM-2019-155-0 |
| Synonyms | Androst-4-ene-3,17-dione, 2MEOX NCIOpen2_003213, 2MEOX .delta.(Sup4)-Androstene-3,17-dione, 2MEOX 10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione, 2MEOX (3Z,17E)-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione O,O-dimethyl dioxime |
| Wiley ID | 1817848 |